1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-(2-piperidin-1-ylethyl)urea

C16H29N3O — CID 95635914

IUPAC1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-(2-piperidin-1-ylethyl)urea
SMILESC[C@H](C1CC1)N(C(=O)NCCN1CCCCC1)C1CC1
InChIInChI=1S/C16H29N3O/c1-13(14-5-6-14)19(15-7-8-15)16(20)17-9-12-18-10-3-2-4-11-18/h13-15H,2-12H2,1H3,(H,17,20)/t13-/m1/s1
InChIKeyJLMOCRRTMDMFNP-CYBMUJFWSA-N
MW279.43 g/mol
LogP2.44
Rot. Bonds6

About 1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-(2-piperidin-1-ylethyl)urea

1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-(2-piperidin-1-ylethyl)urea (PubChem CID 95635914) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-(2-piperidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-(2-piperidin-1-ylethyl)urea
PubChem CID95635914
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-(2-piperidin-1-ylethyl)urea
SMILESC[C@H](C1CC1)N(C(=O)NCCN1CCCCC1)C1CC1
InChIInChI=1S/C16H29N3O/c1-13(14-5-6-14)19(15-7-8-15)16(20)17-9-12-18-10-3-2-4-11-18/h13-15H,2-12H2,1H3,(H,17,20)/t13-/m1/s1
InChIKeyJLMOCRRTMDMFNP-CYBMUJFWSA-N
XLogP2.44
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-(2-piperidin-1-ylethyl)urea with MolForge

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Related Compounds

1,1-diethyl-3-(2-piperidin-1-ylethyl)urea
CID 115583735
N-[2-(azepan-1-yl)ethyl]-2-(propan-2-ylamino)acetamide
CID 61240012
N-[2-(azepan-1-yl)ethyl]-2-propan-2-yloxyacetamide
CID 112686819
N-[2-(azocan-1-yl)ethyl]-1-cyclopropylethanamine
CID 62574708
2-methyl-3-(methylamino)-N-(2-piperidin-1-ylethyl)propanamide
CID 79201801
1-(1,1-dioxothiolan-3-yl)-1-methyl-3-(2-pyrrolidin-1-ylethyl)urea
CID 71893997
1-cyclopropyl-1-(3-methylbutyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
CID 87005504
methyl 2-cyclopropyl-2-(2-piperidin-1-ylethylamino)acetate
CID 103244360
2,2-difluoro-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 103514781
1-cyclobutyl-3-(2-pyrrolidin-1-ylethyl)urea
CID 115617971
2-(aminomethyl)-N-[2-(azepan-1-yl)ethyl]-3-methylbutanamide
CID 65229412
2-cyclopentyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 24719977

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-(2-piperidin-1-ylethyl)urea?
The IUPAC name of 1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-(2-piperidin-1-ylethyl)urea (CID 95635914) is 1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-(2-piperidin-1-ylethyl)urea.
What is the SMILES notation for 1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-(2-piperidin-1-ylethyl)urea?
The canonical SMILES for 1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-(2-piperidin-1-ylethyl)urea is C[C@H](C1CC1)N(C(=O)NCCN1CCCCC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-(2-piperidin-1-ylethyl)urea?
The InChIKey is JLMOCRRTMDMFNP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H29N3O/c1-13(14-5-6-14)19(15-7-8-15)16(20)17-9-12-18-10-3-2-4-11-18/h13-15H,2-12H2,1H3,(H,17,20)/t13-/m1/s1.
What are the key properties of 1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-(2-piperidin-1-ylethyl)urea?
1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-(2-piperidin-1-ylethyl)urea has a molecular weight of 279.43 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-(2-piperidin-1-ylethyl)urea is sourced from PubChem (CID 95635914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).