N-[(1S)-1-phenylethyl]-3-(3-piperidin-1-ylazetidin-1-yl)propanamide

C19H29N3O — CID 124729607

IUPACN-[(1S)-1-phenylethyl]-3-(3-piperidin-1-ylazetidin-1-yl)propanamide
SMILESC[C@H](NC(=O)CCN1CC(N2CCCCC2)C1)c1ccccc1
InChIInChI=1S/C19H29N3O/c1-16(17-8-4-2-5-9-17)20-19(23)10-13-21-14-18(15-21)22-11-6-3-7-12-22/h2,4-5,8-9,16,18H,3,6-7,10-15H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyNWKVPAZGIVBCNZ-INIZCTEOSA-N
MW315.46 g/mol
LogP2.42
Rot. Bonds6

About N-[(1S)-1-phenylethyl]-3-(3-piperidin-1-ylazetidin-1-yl)propanamide

N-[(1S)-1-phenylethyl]-3-(3-piperidin-1-ylazetidin-1-yl)propanamide (PubChem CID 124729607) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-3-(3-piperidin-1-ylazetidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-3-(3-piperidin-1-ylazetidin-1-yl)propanamide
PubChem CID124729607
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN-[(1S)-1-phenylethyl]-3-(3-piperidin-1-ylazetidin-1-yl)propanamide
SMILESC[C@H](NC(=O)CCN1CC(N2CCCCC2)C1)c1ccccc1
InChIInChI=1S/C19H29N3O/c1-16(17-8-4-2-5-9-17)20-19(23)10-13-21-14-18(15-21)22-11-6-3-7-12-22/h2,4-5,8-9,16,18H,3,6-7,10-15H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyNWKVPAZGIVBCNZ-INIZCTEOSA-N
XLogP2.42
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-phenylethyl]-3-piperidin-1-ylazetidine-1-carboxamide
CID 122568655
3-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 95712844
N-[(1R)-1-phenylethyl]-3-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
CID 95339552
3-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 98761810
3-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 95322646
3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide
CID 24589341
N-naphthalen-1-yl-3-(3-piperidin-1-ylazetidin-1-yl)propanamide
CID 91830165
3-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide
CID 24589378
N-(1-phenylethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 24588722
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
N-[(1S)-1-phenylethyl]-3-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 95337910
3-(4-benzhydrylpiperazin-1-yl)-N-propan-2-ylpropanamide
CID 33177312

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-3-(3-piperidin-1-ylazetidin-1-yl)propanamide?
The IUPAC name of N-[(1S)-1-phenylethyl]-3-(3-piperidin-1-ylazetidin-1-yl)propanamide (CID 124729607) is N-[(1S)-1-phenylethyl]-3-(3-piperidin-1-ylazetidin-1-yl)propanamide.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-3-(3-piperidin-1-ylazetidin-1-yl)propanamide?
The canonical SMILES for N-[(1S)-1-phenylethyl]-3-(3-piperidin-1-ylazetidin-1-yl)propanamide is C[C@H](NC(=O)CCN1CC(N2CCCCC2)C1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-3-(3-piperidin-1-ylazetidin-1-yl)propanamide?
The InChIKey is NWKVPAZGIVBCNZ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H29N3O/c1-16(17-8-4-2-5-9-17)20-19(23)10-13-21-14-18(15-21)22-11-6-3-7-12-22/h2,4-5,8-9,16,18H,3,6-7,10-15H2,1H3,(H,20,23)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-3-(3-piperidin-1-ylazetidin-1-yl)propanamide?
N-[(1S)-1-phenylethyl]-3-(3-piperidin-1-ylazetidin-1-yl)propanamide has a molecular weight of 315.46 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-3-(3-piperidin-1-ylazetidin-1-yl)propanamide is sourced from PubChem (CID 124729607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).