(2S,4R)-1-(naphthalen-1-ylmethyl)-N-propan-2-yl-4-[(1-propylpiperidin-4-yl)amino]pyrrolidine-2-carboxamide

C27H40N4O — CID 45213127

IUPAC(2S,4R)-1-(naphthalen-1-ylmethyl)-N-propan-2-yl-4-[(1-propylpiperidin-4-yl)amino]pyrrolidine-2-carboxamide
SMILESCCCN1CCC(N[C@@H]2C[C@@H](C(=O)NC(C)C)N(Cc3cccc4ccccc34)C2)CC1
InChIInChI=1S/C27H40N4O/c1-4-14-30-15-12-23(13-16-30)29-24-17-26(27(32)28-20(2)3)31(19-24)18-22-10-7-9-21-8-5-6-11-25(21)22/h5-11,20,23-24,26,29H,4,12-19H2,1-3H3,(H,28,32)/t24-,26+/m1/s1
InChIKeyFCWCFDNLJRHHEH-RSXGOPAZSA-N
MW436.64 g/mol
LogP3.77
Rot. Bonds8

About (2S,4R)-1-(naphthalen-1-ylmethyl)-N-propan-2-yl-4-[(1-propylpiperidin-4-yl)amino]pyrrolidine-2-carboxamide

(2S,4R)-1-(naphthalen-1-ylmethyl)-N-propan-2-yl-4-[(1-propylpiperidin-4-yl)amino]pyrrolidine-2-carboxamide (PubChem CID 45213127) has the molecular formula C27H40N4O and a molecular weight of 436.64 g/mol. Its IUPAC name is (2S,4R)-1-(naphthalen-1-ylmethyl)-N-propan-2-yl-4-[(1-propylpiperidin-4-yl)amino]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-(naphthalen-1-ylmethyl)-N-propan-2-yl-4-[(1-propylpiperidin-4-yl)amino]pyrrolidine-2-carboxamide
PubChem CID45213127
Molecular FormulaC27H40N4O
Molecular Weight436.64 g/mol
Exact Mass436.32
IUPAC Name(2S,4R)-1-(naphthalen-1-ylmethyl)-N-propan-2-yl-4-[(1-propylpiperidin-4-yl)amino]pyrrolidine-2-carboxamide
SMILESCCCN1CCC(N[C@@H]2C[C@@H](C(=O)NC(C)C)N(Cc3cccc4ccccc34)C2)CC1
InChIInChI=1S/C27H40N4O/c1-4-14-30-15-12-23(13-16-30)29-24-17-26(27(32)28-20(2)3)31(19-24)18-22-10-7-9-21-8-5-6-11-25(21)22/h5-11,20,23-24,26,29H,4,12-19H2,1-3H3,(H,28,32)/t24-,26+/m1/s1
InChIKeyFCWCFDNLJRHHEH-RSXGOPAZSA-N
XLogP3.77
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.64
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-4-(naphthalen-1-ylmethylamino)-N-propan-2-yl-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 45218895
1-(naphthalen-1-ylmethyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 60609439
(2S,4R)-4-(naphthalen-1-ylmethylamino)-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide
CID 28822745
(2S,4S)-1-[(2-chlorophenyl)methyl]-4-(cycloheptylamino)-N-ethylpyrrolidine-2-carboxamide
CID 118755255
(2S,4S)-4-[(1-benzylpiperidin-4-yl)amino]-1-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 45243303
(2S,4R)-4-[(2,6-difluorophenyl)methylamino]-N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide
CID 126466713
(2S,4R)-N-ethyl-1-(naphthalen-1-ylmethyl)-4-[(4-phenylphenyl)methylamino]pyrrolidine-2-carboxamide
CID 45228510
1-hexyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine
CID 44536497
N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 62369278
1-(naphthalen-1-ylmethyl)-N-propylpiperidin-4-amine
CID 60820486
N-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]benzamide
CID 2802697
1-(naphthalen-1-ylmethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 43923942

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(naphthalen-1-ylmethyl)-N-propan-2-yl-4-[(1-propylpiperidin-4-yl)amino]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-(naphthalen-1-ylmethyl)-N-propan-2-yl-4-[(1-propylpiperidin-4-yl)amino]pyrrolidine-2-carboxamide (CID 45213127) is (2S,4R)-1-(naphthalen-1-ylmethyl)-N-propan-2-yl-4-[(1-propylpiperidin-4-yl)amino]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-(naphthalen-1-ylmethyl)-N-propan-2-yl-4-[(1-propylpiperidin-4-yl)amino]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-(naphthalen-1-ylmethyl)-N-propan-2-yl-4-[(1-propylpiperidin-4-yl)amino]pyrrolidine-2-carboxamide is CCCN1CCC(N[C@@H]2C[C@@H](C(=O)NC(C)C)N(Cc3cccc4ccccc34)C2)CC1.
What is the InChIKey of (2S,4R)-1-(naphthalen-1-ylmethyl)-N-propan-2-yl-4-[(1-propylpiperidin-4-yl)amino]pyrrolidine-2-carboxamide?
The InChIKey is FCWCFDNLJRHHEH-RSXGOPAZSA-N. The full InChI is InChI=1S/C27H40N4O/c1-4-14-30-15-12-23(13-16-30)29-24-17-26(27(32)28-20(2)3)31(19-24)18-22-10-7-9-21-8-5-6-11-25(21)22/h5-11,20,23-24,26,29H,4,12-19H2,1-3H3,(H,28,32)/t24-,26+/m1/s1.
What are the key properties of (2S,4R)-1-(naphthalen-1-ylmethyl)-N-propan-2-yl-4-[(1-propylpiperidin-4-yl)amino]pyrrolidine-2-carboxamide?
(2S,4R)-1-(naphthalen-1-ylmethyl)-N-propan-2-yl-4-[(1-propylpiperidin-4-yl)amino]pyrrolidine-2-carboxamide has a molecular weight of 436.64 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(naphthalen-1-ylmethyl)-N-propan-2-yl-4-[(1-propylpiperidin-4-yl)amino]pyrrolidine-2-carboxamide is sourced from PubChem (CID 45213127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).