N-[(3R,6S)-6-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide

About N-[(3R,6S)-6-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide

N-[(3R,6S)-6-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide (PubChem CID 68662038) has the molecular formula C29H47N3O5 and a molecular weight of 517.71 g/mol. Its IUPAC name is N-[(3R,6S)-6-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name	N-[(3R,6S)-6-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide
PubChem CID	68662038
Molecular Formula	C29H47N3O5
Molecular Weight	517.71 g/mol
Exact Mass	517.35
IUPAC Name	N-[(3R,6S)-6-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide
SMILES	CCCN(CC1CC1)C(=O)C[C@@H]1CC[C@@H](N(C(=O)c2ccc(OC)c(OCCCOC)c2)C(C)C)CN1
InChI	InChI=1S/C29H47N3O5/c1-6-14-31(20-22-8-9-22)28(33)18-24-11-12-25(19-30-24)32(21(2)3)29(34)23-10-13-26(36-5)27(17-23)37-16-7-15-35-4/h10,13,17,21-22,24-25,30H,6-9,11-12,14-16,18-20H2,1-5H3/t24-,25+/m0/s1
InChIKey	GDLPHLNAOCLWGC-LOSJGSFVSA-N
XLogP	4.12
TPSA	80.34 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	15
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.71
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[(3R,6S)-6-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide?

The IUPAC name of N-[(3R,6S)-6-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide (CID 68662038) is N-[(3R,6S)-6-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide.

What is the SMILES notation for N-[(3R,6S)-6-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide?

The canonical SMILES for N-[(3R,6S)-6-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide is CCCN(CC1CC1)C(=O)C[C@@H]1CC[C@@H](N(C(=O)c2ccc(OC)c(OCCCOC)c2)C(C)C)CN1.

What is the InChIKey of N-[(3R,6S)-6-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide?

The InChIKey is GDLPHLNAOCLWGC-LOSJGSFVSA-N. The full InChI is InChI=1S/C29H47N3O5/c1-6-14-31(20-22-8-9-22)28(33)18-24-11-12-25(19-30-24)32(21(2)3)29(34)23-10-13-26(36-5)27(17-23)37-16-7-15-35-4/h10,13,17,21-22,24-25,30H,6-9,11-12,14-16,18-20H2,1-5H3/t24-,25+/m0/s1.

What are the key properties of N-[(3R,6S)-6-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide?

N-[(3R,6S)-6-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide has a molecular weight of 517.71 g/mol, XLogP of 4.12, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R,6S)-6-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide is sourced from PubChem (CID 68662038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).