1-[(3R,4S)-3-methyl-4-[[(1R)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]propan-1-one

C21H28N2O — CID 98772851

IUPAC1-[(3R,4S)-3-methyl-4-[[(1R)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC[C@H](N[C@H](C)c2ccc3ccccc3c2)[C@H](C)C1
InChIInChI=1S/C21H28N2O/c1-4-21(24)23-12-11-20(15(2)14-23)22-16(3)18-10-9-17-7-5-6-8-19(17)13-18/h5-10,13,15-16,20,22H,4,11-12,14H2,1-3H3/t15-,16-,20+/m1/s1
InChIKeyUCZCMIPOXXIESO-QINHECLXSA-N
MW324.47 g/mol
LogP4.14
Rot. Bonds4

About 1-[(3R,4S)-3-methyl-4-[[(1R)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]propan-1-one

1-[(3R,4S)-3-methyl-4-[[(1R)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]propan-1-one (PubChem CID 98772851) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-[(3R,4S)-3-methyl-4-[[(1R)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3R,4S)-3-methyl-4-[[(1R)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]propan-1-one
PubChem CID98772851
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name1-[(3R,4S)-3-methyl-4-[[(1R)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC[C@H](N[C@H](C)c2ccc3ccccc3c2)[C@H](C)C1
InChIInChI=1S/C21H28N2O/c1-4-21(24)23-12-11-20(15(2)14-23)22-16(3)18-10-9-17-7-5-6-8-19(17)13-18/h5-10,13,15-16,20,22H,4,11-12,14H2,1-3H3/t15-,16-,20+/m1/s1
InChIKeyUCZCMIPOXXIESO-QINHECLXSA-N
XLogP4.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3R,4S)-3-methyl-4-[[(1R)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[(3R,4R)-3-ethyl-4-[[(1S)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]ethanone
CID 97097185
3-(hydroxymethyl)-N-(1-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide
CID 111443508
1-[3-ethyl-4-(naphthalen-2-ylmethylamino)piperidin-1-yl]propan-1-one
CID 71927405
1-[(3R,4R)-3-methyl-4-[[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]piperidin-1-yl]propan-1-one
CID 124866385
1-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]propan-1-one
CID 56715170
1-[(3R,4S)-4-[[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]amino]-3-methylpiperidin-1-yl]ethanone
CID 97024489
1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 79873716
(3R)-3-methylsulfonyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-1-carboxamide
CID 124727498
2-(cyclopropylmethylamino)-N-(1-naphthalen-2-ylethyl)acetamide;hydrochloride
CID 119685956
(3S)-N-[(1S)-1-naphthalen-2-ylethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 95352112
(3R,4R)-1,3-dimethyl-N-[(1S)-1-phenylethyl]piperidin-4-amine
CID 11172331
N-[3-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]phenyl]acetamide
CID 115708260

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-3-methyl-4-[[(1R)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[(3R,4S)-3-methyl-4-[[(1R)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]propan-1-one (CID 98772851) is 1-[(3R,4S)-3-methyl-4-[[(1R)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(3R,4S)-3-methyl-4-[[(1R)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(3R,4S)-3-methyl-4-[[(1R)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]propan-1-one is CCC(=O)N1CC[C@H](N[C@H](C)c2ccc3ccccc3c2)[C@H](C)C1.
What is the InChIKey of 1-[(3R,4S)-3-methyl-4-[[(1R)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]propan-1-one?
The InChIKey is UCZCMIPOXXIESO-QINHECLXSA-N. The full InChI is InChI=1S/C21H28N2O/c1-4-21(24)23-12-11-20(15(2)14-23)22-16(3)18-10-9-17-7-5-6-8-19(17)13-18/h5-10,13,15-16,20,22H,4,11-12,14H2,1-3H3/t15-,16-,20+/m1/s1.
What are the key properties of 1-[(3R,4S)-3-methyl-4-[[(1R)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]propan-1-one?
1-[(3R,4S)-3-methyl-4-[[(1R)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]propan-1-one has a molecular weight of 324.47 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-3-methyl-4-[[(1R)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 98772851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).