N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide

C20H29N3O2 — CID 94651264

IUPACN-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide
SMILESO=C(C[C@@H]1CCCO1)Nc1cccc(N2CCN(CC3CC3)CC2)c1
InChIInChI=1S/C20H29N3O2/c24-20(14-19-5-2-12-25-19)21-17-3-1-4-18(13-17)23-10-8-22(9-11-23)15-16-6-7-16/h1,3-4,13,16,19H,2,5-12,14-15H2,(H,21,24)/t19-/m0/s1
InChIKeyCNDJTCLJZGZXDI-IBGZPJMESA-N
MW343.47 g/mol
LogP2.73
Rot. Bonds6

About N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide

N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide (PubChem CID 94651264) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide
PubChem CID94651264
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide
SMILESO=C(C[C@@H]1CCCO1)Nc1cccc(N2CCN(CC3CC3)CC2)c1
InChIInChI=1S/C20H29N3O2/c24-20(14-19-5-2-12-25-19)21-17-3-1-4-18(13-17)23-10-8-22(9-11-23)15-16-6-7-16/h1,3-4,13,16,19H,2,5-12,14-15H2,(H,21,24)/t19-/m0/s1
InChIKeyCNDJTCLJZGZXDI-IBGZPJMESA-N
XLogP2.73
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide
CID 94675789
N-(3-morpholin-4-ylphenyl)-2-(oxan-2-yl)acetamide
CID 110613011
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014298
N-(3-chlorophenyl)-2-(oxolan-2-yl)acetamide
CID 47209133
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 86836840
N-[3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 65155963
2-(oxolan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110696650
1-(oxolan-2-ylmethyl)-3-(3-piperidin-1-ylphenyl)urea
CID 60572820
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]pyrrolidine-3-carboxamide
CID 119902694
(2R)-2-amino-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]propanamide;trihydrochloride
CID 119902669
N-[3-(cyclopentylamino)phenyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95629890
(2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]piperidine-2-carboxamide
CID 119902654

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide?
The IUPAC name of N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide (CID 94651264) is N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide.
What is the SMILES notation for N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide?
The canonical SMILES for N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide is O=C(C[C@@H]1CCCO1)Nc1cccc(N2CCN(CC3CC3)CC2)c1.
What is the InChIKey of N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide?
The InChIKey is CNDJTCLJZGZXDI-IBGZPJMESA-N. The full InChI is InChI=1S/C20H29N3O2/c24-20(14-19-5-2-12-25-19)21-17-3-1-4-18(13-17)23-10-8-22(9-11-23)15-16-6-7-16/h1,3-4,13,16,19H,2,5-12,14-15H2,(H,21,24)/t19-/m0/s1.
What are the key properties of N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide?
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide has a molecular weight of 343.47 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide is sourced from PubChem (CID 94651264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).