N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-piperidin-4-ylacetamide

C15H29N3O2 — CID 131923261

IUPACN-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-piperidin-4-ylacetamide
SMILESCO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)CC1CCNCC1
InChIInChI=1S/C15H29N3O2/c1-11(2)18-9-13(14(10-18)20-3)17-15(19)8-12-4-6-16-7-5-12/h11-14,16H,4-10H2,1-3H3,(H,17,19)/t13-,14-/m0/s1
InChIKeyRMOKHTJQIPQCGZ-KBPBESRZSA-N
MW283.42 g/mol
LogP0.60
Rot. Bonds5

About N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-piperidin-4-ylacetamide

N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-piperidin-4-ylacetamide (PubChem CID 131923261) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-piperidin-4-ylacetamide
PubChem CID131923261
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-piperidin-4-ylacetamide
SMILESCO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)CC1CCNCC1
InChIInChI=1S/C15H29N3O2/c1-11(2)18-9-13(14(10-18)20-3)17-15(19)8-12-4-6-16-7-5-12/h11-14,16H,4-10H2,1-3H3,(H,17,19)/t13-,14-/m0/s1
InChIKeyRMOKHTJQIPQCGZ-KBPBESRZSA-N
XLogP0.60
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide
CID 118770590
N-(1,3-dimethylpiperidin-4-yl)-2-piperidin-4-ylacetamide
CID 113267502
N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 91786566
N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-phenylpiperidin-1-yl)acetamide
CID 133266894
N-(2-hydroxycycloheptyl)-2-piperidin-4-ylacetamide
CID 113394752
3-(benzenesulfonyl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide
CID 118777842
N-(2,3-dimethylcyclohexyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119676189
N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 118782539
N-(4-hydroxybutan-2-yl)-2-piperidin-4-ylacetamide
CID 83177313
5-chloro-N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 133260540
N-(2-ethylsulfanylcyclopentyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119818862
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide
CID 118767754

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-piperidin-4-ylacetamide?
The IUPAC name of N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-piperidin-4-ylacetamide (CID 131923261) is N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-piperidin-4-ylacetamide?
The canonical SMILES for N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-piperidin-4-ylacetamide is CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)CC1CCNCC1.
What is the InChIKey of N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-piperidin-4-ylacetamide?
The InChIKey is RMOKHTJQIPQCGZ-KBPBESRZSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-11(2)18-9-13(14(10-18)20-3)17-15(19)8-12-4-6-16-7-5-12/h11-14,16H,4-10H2,1-3H3,(H,17,19)/t13-,14-/m0/s1.
What are the key properties of N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-piperidin-4-ylacetamide?
N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-piperidin-4-ylacetamide has a molecular weight of 283.42 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-piperidin-4-ylacetamide is sourced from PubChem (CID 131923261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).