N-(cyclohexylmethyl)-3-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide

C18H35N3O2 — CID 111489377

IUPACN-(cyclohexylmethyl)-3-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide
SMILESCCC(CO)N1CCN(CCC(=O)NCC2CCCCC2)CC1
InChIInChI=1S/C18H35N3O2/c1-2-17(15-22)21-12-10-20(11-13-21)9-8-18(23)19-14-16-6-4-3-5-7-16/h16-17,22H,2-15H2,1H3,(H,19,23)
InChIKeyDNWCMVPNZIHPBB-UHFFFAOYSA-N
MW325.50 g/mol
LogP1.46
Rot. Bonds8

About N-(cyclohexylmethyl)-3-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide

N-(cyclohexylmethyl)-3-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide (PubChem CID 111489377) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide
PubChem CID111489377
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC NameN-(cyclohexylmethyl)-3-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide
SMILESCCC(CO)N1CCN(CCC(=O)NCC2CCCCC2)CC1
InChIInChI=1S/C18H35N3O2/c1-2-17(15-22)21-12-10-20(11-13-21)9-8-18(23)19-14-16-6-4-3-5-7-16/h16-17,22H,2-15H2,1H3,(H,19,23)
InChIKeyDNWCMVPNZIHPBB-UHFFFAOYSA-N
XLogP1.46
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide?
The IUPAC name of N-(cyclohexylmethyl)-3-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide (CID 111489377) is N-(cyclohexylmethyl)-3-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide is CCC(CO)N1CCN(CCC(=O)NCC2CCCCC2)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-3-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide?
The InChIKey is DNWCMVPNZIHPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-2-17(15-22)21-12-10-20(11-13-21)9-8-18(23)19-14-16-6-4-3-5-7-16/h16-17,22H,2-15H2,1H3,(H,19,23).
What are the key properties of N-(cyclohexylmethyl)-3-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide?
N-(cyclohexylmethyl)-3-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide has a molecular weight of 325.50 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 111489377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).